| SpectraBase Compound ID | CNvu4P8Ok8b |
|---|---|
| InChI | InChI=1S/C21H41NO4/c1-4-7-10-12-13-15-18-25-20(23)19(16-14-11-8-5-2)22-21(24)26-17-9-6-3/h19H,4-18H2,1-3H3,(H,22,24) |
| InChIKey | RFLHBXQDTMOAHC-UHFFFAOYSA-N |
| Mol Weight | 371.6 g/mol |
| Molecular Formula | C21H41NO4 |
| Exact Mass | 371.303559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7QL1OZ7Oy4y |
|---|---|
| Name | 2-Aminocaprylic acid, N-butoxycarbonyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.303558800 u |
| Formula | C21H41NO4 |
| InChI | InChI=1S/C21H41NO4/c1-4-7-10-12-13-15-18-25-20(23)19(16-14-11-8-5-2)22-21(24)26-17-9-6-3/h19H,4-18H2,1-3H3,(H,22,24) |
| InChIKey | RFLHBXQDTMOAHC-UHFFFAOYSA-N |
| Molecular Weight | 371.562 g/mol |
| SMILES | CCCCOC(NC(C(OCCCCCCCC)=O)CCCCCC)=O |